SCHEMBL8007592

SCHEMBL8007592

C[C@H]1CC[C@@H](CN)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SRC P12931 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9918105 0.86 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL25323350 0.86 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL29345090 0.86 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3SRC
SCHEMBL25323352 0.86 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL29202406 0.84 NR1H2 (0.39) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL9918104 0.84 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL29081315 0.82 NR1H2 (0.38) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL29081317 0.82 NR1H2 (0.38) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL1630474 0.81 HTT (0.43) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL1630475 0.81 HTT (0.43) CHRM2CHRM1CHRM3USP2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US disclosed
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US disclosed
US-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-03-03 US disclosed
US-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-03-03 US disclosed
WO-2009124956-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2009-10-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, OXTR NR1H2 344/4885CHRM2 778/4885CHRM1 666/4885
US-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS HCRTR2, HCRTR1, NPY4R NR1H2 345/4885CHRM2 322/4885CHRM1 202/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.